4-nonadec-18-enylbenzenediazonium

C25H41N2+ — CID 88673652

IUPAC4-nonadec-18-enylbenzenediazonium
SMILESC=CCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1
InChIInChI=1S/C25H41N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-22-25(27-26)23-21-24/h2,20-23H,1,3-19H2/q+1
InChIKeyVZWRGXPJTLNGKS-UHFFFAOYSA-N
MW369.62 g/mol
LogP9.14
Rot. Bonds18

About 4-nonadec-18-enylbenzenediazonium

4-nonadec-18-enylbenzenediazonium (PubChem CID 88673652) has the molecular formula C25H41N2+ and a molecular weight of 369.62 g/mol. Its IUPAC name is 4-nonadec-18-enylbenzenediazonium.

Molecular Properties

Compound Name4-nonadec-18-enylbenzenediazonium
PubChem CID88673652
Molecular FormulaC25H41N2+
Molecular Weight369.62 g/mol
Exact Mass369.33
IUPAC Name4-nonadec-18-enylbenzenediazonium
SMILESC=CCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1
InChIInChI=1S/C25H41N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-22-25(27-26)23-21-24/h2,20-23H,1,3-19H2/q+1
InChIKeyVZWRGXPJTLNGKS-UHFFFAOYSA-N
XLogP9.14
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-non-8-enylbenzene
CID 57222789
4-tetradec-13-enylphenol
CID 157380665
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
hept-6-enylbenzene
CID 15608161
4-hexadecylbenzenediazonium chloride
CID 88673679
4-hex-5-enylbenzonitrile
CID 582246
4-icosylbenzenediazonium;zinc;dichloride
CID 161323035
4-[2-[4-[4-[2-(4-diazoniophenyl)ethyl]phenyl]phenyl]ethyl]benzenediazonium
CID 100984232
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-[diphenyl-(4-undec-10-enylphenyl)methyl]-4-undec-10-enylbenzene
CID 132933253

Frequently Asked Questions

What is the IUPAC name of 4-nonadec-18-enylbenzenediazonium?
The IUPAC name of 4-nonadec-18-enylbenzenediazonium (CID 88673652) is 4-nonadec-18-enylbenzenediazonium.
What is the SMILES notation for 4-nonadec-18-enylbenzenediazonium?
The canonical SMILES for 4-nonadec-18-enylbenzenediazonium is C=CCCCCCCCCCCCCCCCCCc1ccc([N+]#N)cc1.
What is the InChIKey of 4-nonadec-18-enylbenzenediazonium?
The InChIKey is VZWRGXPJTLNGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-22-25(27-26)23-21-24/h2,20-23H,1,3-19H2/q+1.
What are the key properties of 4-nonadec-18-enylbenzenediazonium?
4-nonadec-18-enylbenzenediazonium has a molecular weight of 369.62 g/mol, XLogP of 9.14, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nonadec-18-enylbenzenediazonium is sourced from PubChem (CID 88673652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).